tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate

C21H24FN3O3 — CID 175007211

IUPACtert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2ccc(-c3ccccc3F)cn2)C1=O
InChIInChI=1S/C21H24FN3O3/c1-21(2,3)28-20(27)24-17-9-6-12-25(19(17)26)18-11-10-14(13-23-18)15-7-4-5-8-16(15)22/h4-5,7-8,10-11,13,17H,6,9,12H2,1-3H3,(H,24,27)
InChIKeyGSLFBKBTEVSLGH-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.91
Rot. Bonds3

About tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate

tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate (PubChem CID 175007211) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate
PubChem CID175007211
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Nametert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2ccc(-c3ccccc3F)cn2)C1=O
InChIInChI=1S/C21H24FN3O3/c1-21(2,3)28-20(27)24-17-9-6-12-25(19(17)26)18-11-10-14(13-23-18)15-7-4-5-8-16(15)22/h4-5,7-8,10-11,13,17H,6,9,12H2,1-3H3,(H,24,27)
InChIKeyGSLFBKBTEVSLGH-UHFFFAOYSA-N
XLogP3.91
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dimethyl-1-sulfonylpropyl)-[2-[6-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]phenyl]carbamic acid
CID 87981110
3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride
CID 135374583
tert-butyl N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamate
CID 95623664
tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate
CID 129226585
(3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one
CID 152910649
tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate
CID 15437365
1-[(3R)-1-[5-[2-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129227249
tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
CID 154080126
tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]carbamate
CID 11949675
(2,2-dimethyl-1-sulfonylpropyl)-[2-[3-fluoro-4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]phenyl]phenyl]carbamic acid
CID 87981196
tert-butyl N-[(3S)-1-(cyclopropanecarbonyl)-2-oxoazepan-3-yl]carbamate
CID 91311843
tert-butyl N-[(11S)-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-11-yl]carbamate
CID 155189855

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate (CID 175007211) is tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(c2ccc(-c3ccccc3F)cn2)C1=O.
What is the InChIKey of tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate?
The InChIKey is GSLFBKBTEVSLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-21(2,3)28-20(27)24-17-9-6-12-25(19(17)26)18-11-10-14(13-23-18)15-7-4-5-8-16(15)22/h4-5,7-8,10-11,13,17H,6,9,12H2,1-3H3,(H,24,27).
What are the key properties of tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate?
tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate has a molecular weight of 385.44 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate is sourced from PubChem (CID 175007211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).